| SpectraBase Compound ID | 2dmc3sCuSdu |
|---|---|
| InChI | InChI=1S/C15H13BrO/c1-17-15-9-7-12(8-10-15)5-6-13-3-2-4-14(16)11-13/h2-11H,1H3/b6-5+ |
| InChIKey | QYPXVBKIYOUVGX-AATRIKPKSA-N |
| Mol Weight | 289.17 g/mol |
| Molecular Formula | C15H13BrO |
| Exact Mass | 288.014978 g/mol |
| SpectraBase Spectrum ID | Ec43JWbWNiW |
|---|---|
| Name | (E)-4-[(3-Bromophenyl)ethenyl] methoxybenzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 288.014978038 u |
| Formula | C15H13BrO |
| InChI | InChI=1S/C15H13BrO/c1-17-15-9-7-12(8-10-15)5-6-13-3-2-4-14(16)11-13/h2-11H,1H3/b6-5+ |
| InChIKey | QYPXVBKIYOUVGX-AATRIKPKSA-N |
| SMILES | C=1(C=CC(=CC1)\C=C\C=1C=C(C=CC1)Br)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.858684 |